SCHEMBL7747994

SCHEMBL7747994

Cc1nc(Cl)c2cccc(OCc3c(Cl)ccc([N+](=O)[O-])c3Cl)c2n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
RORC P51449 11/20 0.41
PIN1 Q13526 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
BDKRB2 P30411 3/20 0.39
BUB1 O43683 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6644732 0.85 RORC (0.49) NPC1RAB9AKMT2ARORCBDKRB2
SCHEMBL7748383 0.84 BDKRB2 (0.51) RORCBDKRB2
SCHEMBL7746858 0.84 PARP1 (0.49) NPC1RAB9AKMT2ARORCALDH1A1
SCHEMBL6639746 0.83 BDKRB2 (0.48) KMT2ARORCBDKRB2
SCHEMBL7748533 0.83 RORC (0.47) RORCBDKRB2
SCHEMBL7749686 0.82 BDKRB2 (0.49) RORCBDKRB2
SCHEMBL7840252 0.81 RORC (0.46) KMT2ARORCBDKRB2
SCHEMBL7842267 0.81 BDKRB2 (0.51) RORCBDKRB2
SCHEMBL4600297 0.81 BDKRB2 (0.60) KMT2AALDH1A1BDKRB2
SCHEMBL7746678 0.80 BDKRB2 (0.42) NPC1RAB9AKMT2ARORCPIN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP disclosed
US-6169095-B1 FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES IN THE EYE, SUCH AS ALLERGY, INFLAMMATION AND PAIN OF THE EYE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
US-5922711-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, SHOCK OR ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed